[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=C(C=C1)CN2C=NC=N2

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=C(C=C1)CN2C=NC=N2

InChI

InChI=1S/C16H19N5O4/c1-10(2)13(14(22)20-16(17)24)25-15(23)12-5-3-11(4-6-12)7-21-9-18-8-19-21/h3-6,8-10,13H,7H2,1-2H3,(H3,17,20,22,24)